- InChI
- InChI=1S/C7H5Br2NO2/c1-4-6(8)2-5(10(11)12)3-7(4)9/h2-3H,1H3
- InChI Key
- HGDQAFSQPJJIFA-UHFFFAOYSA-N
- Formula
- C7H5Br2NO2
- SMILES
- Cc1c(Br)cc([N+](=O)[O-])cc1Br
- Molecular Weight1
- 294.93
- CAS
- 110127-07-6
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5478 | Relay (1.0) Calculated Property | |
| ΔfG° | 155.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 65.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.428 | Crippen Calculated Property | |
| McVol | 138.150 | ml/mol | McGowan Calculated Property |
| Pc | 4730.11 | kPa | Joback Calculated Property |
| Tboil | 565.60 | K | Relay (1.0) Calculated Property |
| Tc | 828.85 | K | Relay (1.0) Calculated Property |
| Tfus | 429.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.454 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [273.74; 313.28] | J/mol×K | [685.34; 963.22] | 
|
| Cp,gas | 273.74 | J/mol×K | 685.34 | Joback Calculated Property |
| Cp,gas | 281.88 | J/mol×K | 731.65 | Joback Calculated Property |
| Cp,gas | 289.31 | J/mol×K | 777.97 | Joback Calculated Property |
| Cp,gas | 296.10 | J/mol×K | 824.28 | Joback Calculated Property |
| Cp,gas | 302.31 | J/mol×K | 870.60 | Joback Calculated Property |
| Cp,gas | 308.02 | J/mol×K | 916.91 | Joback Calculated Property |
| Cp,gas | 313.28 | J/mol×K | 963.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Dibromo-4-nitrotoluene.
Sources
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